(2S)-2-[[4-(aminomethyl)cyclohexyl]amino]propanoic acid

C10H20N2O2 — CID 90979668

IUPAC(2S)-2-[[4-(aminomethyl)cyclohexyl]amino]propanoic acid
SMILESC[C@H](NC1CCC(CN)CC1)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-7(10(13)14)12-9-4-2-8(6-11)3-5-9/h7-9,12H,2-6,11H2,1H3,(H,13,14)/t7-,8?,9?/m0/s1
InChIKeyIMAIRNKBENJRGS-UEJVZZJDSA-N
MW200.28 g/mol
LogP0.57
Rot. Bonds4

About (2S)-2-[[4-(aminomethyl)cyclohexyl]amino]propanoic acid

(2S)-2-[[4-(aminomethyl)cyclohexyl]amino]propanoic acid (PubChem CID 90979668) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S)-2-[[4-(aminomethyl)cyclohexyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[4-(aminomethyl)cyclohexyl]amino]propanoic acid
PubChem CID90979668
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2S)-2-[[4-(aminomethyl)cyclohexyl]amino]propanoic acid
SMILESC[C@H](NC1CCC(CN)CC1)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-7(10(13)14)12-9-4-2-8(6-11)3-5-9/h7-9,12H,2-6,11H2,1H3,(H,13,14)/t7-,8?,9?/m0/s1
InChIKeyIMAIRNKBENJRGS-UEJVZZJDSA-N
XLogP0.57
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[4-(aminomethyl)cyclohexyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(aminomethyl)cyclohexyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[4-(aminomethyl)cyclohexyl]amino]propanoic acid (CID 90979668) is (2S)-2-[[4-(aminomethyl)cyclohexyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[4-(aminomethyl)cyclohexyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[4-(aminomethyl)cyclohexyl]amino]propanoic acid is C[C@H](NC1CCC(CN)CC1)C(=O)O.
What is the InChIKey of (2S)-2-[[4-(aminomethyl)cyclohexyl]amino]propanoic acid?
The InChIKey is IMAIRNKBENJRGS-UEJVZZJDSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(10(13)14)12-9-4-2-8(6-11)3-5-9/h7-9,12H,2-6,11H2,1H3,(H,13,14)/t7-,8?,9?/m0/s1.
What are the key properties of (2S)-2-[[4-(aminomethyl)cyclohexyl]amino]propanoic acid?
(2S)-2-[[4-(aminomethyl)cyclohexyl]amino]propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(aminomethyl)cyclohexyl]amino]propanoic acid is sourced from PubChem (CID 90979668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).